N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide

C17H15N7O2 — CID 75533166

IUPACN-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H15N7O2/c1-18-17(26)13-7-12(9-19-10-13)5-6-16(25)21-14-3-2-4-15(8-14)24-11-20-22-23-24/h2-11H,1H3,(H,18,26)(H,21,25)/b6-5+
InChIKeyYZZPSHFZRSWPAI-AATRIKPKSA-N
MW349.35 g/mol
LogP1.07
Rot. Bonds5

About N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide

N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide (PubChem CID 75533166) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide
PubChem CID75533166
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC NameN-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H15N7O2/c1-18-17(26)13-7-12(9-19-10-13)5-6-16(25)21-14-3-2-4-15(8-14)24-11-20-22-23-24/h2-11H,1H3,(H,18,26)(H,21,25)/b6-5+
InChIKeyYZZPSHFZRSWPAI-AATRIKPKSA-N
XLogP1.07
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 24555485
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
(E)-3-(4-methylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 17011477
(E)-3-[3-(tetrazol-1-yl)phenyl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 16652466
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 62836405
3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55992377
(E)-3-(4-propan-2-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 26728883
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide (CID 75533166) is N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide is CNC(=O)c1cncc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide?
The InChIKey is YZZPSHFZRSWPAI-AATRIKPKSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-18-17(26)13-7-12(9-19-10-13)5-6-16(25)21-14-3-2-4-15(8-14)24-11-20-22-23-24/h2-11H,1H3,(H,18,26)(H,21,25)/b6-5+.
What are the key properties of N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide?
N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)anilino]prop-1-enyl]pyridine-3-carboxamide is sourced from PubChem (CID 75533166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).